Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"
save_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one'
_Assigned_chem_shift_list.Entry_ID 298
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample_one . 298 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY HA2 H 1 4.06 . . 1 . . . . . . . . 298 1
2 . 1 1 1 1 GLY HA3 H 1 4.06 . . 1 . . . . . . . . 298 1
3 . 1 1 2 2 ASN H H 1 8.73 . . 1 . . . . . . . . 298 1
4 . 1 1 2 2 ASN HA H 1 4.88 . . 1 . . . . . . . . 298 1
5 . 1 1 2 2 ASN HB2 H 1 2.85 . . 2 . . . . . . . . 298 1
6 . 1 1 2 2 ASN HB3 H 1 2.76 . . 2 . . . . . . . . 298 1
7 . 1 1 3 3 THR H H 1 8.3 . . 1 . . . . . . . . 298 1
8 . 1 1 3 3 THR HA H 1 4.31 . . 1 . . . . . . . . 298 1
9 . 1 1 3 3 THR HB H 1 4.14 . . 1 . . . . . . . . 298 1
10 . 1 1 3 3 THR HG21 H 1 1.17 . . 1 . . . . . . . . 298 1
11 . 1 1 3 3 THR HG22 H 1 1.17 . . 1 . . . . . . . . 298 1
12 . 1 1 3 3 THR HG23 H 1 1.17 . . 1 . . . . . . . . 298 1
13 . 1 1 4 4 LEU H H 1 8.17 . . 1 . . . . . . . . 298 1
14 . 1 1 4 4 LEU HA H 1 4.53 . . 1 . . . . . . . . 298 1
15 . 1 1 4 4 LEU HB2 H 1 1.63 . . 1 . . . . . . . . 298 1
16 . 1 1 4 4 LEU HB3 H 1 1.63 . . 1 . . . . . . . . 298 1
17 . 1 1 5 5 SER HA H 1 4.7 . . 1 . . . . . . . . 298 1
18 . 1 1 5 5 SER HB2 H 1 3.87 . . 1 . . . . . . . . 298 1
19 . 1 1 5 5 SER HB3 H 1 3.87 . . 1 . . . . . . . . 298 1
20 . 1 1 6 6 GLY HA2 H 1 3.88 . . 2 . . . . . . . . 298 1
21 . 1 1 6 6 GLY HA3 H 1 4.65 . . 2 . . . . . . . . 298 1
22 . 1 1 7 7 THR HA H 1 4.69 . . 1 . . . . . . . . 298 1
23 . 1 1 7 7 THR HB H 1 3.86 . . 1 . . . . . . . . 298 1
24 . 1 1 7 7 THR HG21 H 1 .35 . . 1 . . . . . . . . 298 1
25 . 1 1 7 7 THR HG22 H 1 .35 . . 1 . . . . . . . . 298 1
26 . 1 1 7 7 THR HG23 H 1 .35 . . 1 . . . . . . . . 298 1
27 . 1 1 8 8 LEU H H 1 8.55 . . 1 . . . . . . . . 298 1
28 . 1 1 8 8 LEU HA H 1 4.96 . . 1 . . . . . . . . 298 1
29 . 1 1 8 8 LEU HB2 H 1 1.59 . . 1 . . . . . . . . 298 1
30 . 1 1 8 8 LEU HB3 H 1 1.59 . . 1 . . . . . . . . 298 1
31 . 1 1 9 9 TRP H H 1 9.68 . . 1 . . . . . . . . 298 1
32 . 1 1 9 9 TRP HA H 1 4.59 . . 1 . . . . . . . . 298 1
33 . 1 1 9 9 TRP HB2 H 1 2.94 . . 1 . . . . . . . . 298 1
34 . 1 1 9 9 TRP HB3 H 1 2.94 . . 1 . . . . . . . . 298 1
35 . 1 1 9 9 TRP HD1 H 1 6.6 . . 1 . . . . . . . . 298 1
36 . 1 1 9 9 TRP HE3 H 1 7.26 . . 1 . . . . . . . . 298 1
37 . 1 1 9 9 TRP HZ2 H 1 6.66 . . 1 . . . . . . . . 298 1
38 . 1 1 9 9 TRP HZ3 H 1 7.05 . . 1 . . . . . . . . 298 1
39 . 1 1 9 9 TRP HH2 H 1 7.05 . . 1 . . . . . . . . 298 1
40 . 1 1 10 10 LEU H H 1 8.78 . . 1 . . . . . . . . 298 1
41 . 1 1 10 10 LEU HA H 1 4.59 . . 1 . . . . . . . . 298 1
42 . 1 1 10 10 LEU HB2 H 1 1.59 . . 1 . . . . . . . . 298 1
43 . 1 1 10 10 LEU HB3 H 1 1.59 . . 1 . . . . . . . . 298 1
44 . 1 1 11 11 TYR HA H 1 4.99 . . 1 . . . . . . . . 298 1
45 . 1 1 11 11 TYR HB2 H 1 3.09 . . 1 . . . . . . . . 298 1
46 . 1 1 11 11 TYR HB3 H 1 3.09 . . 1 . . . . . . . . 298 1
47 . 1 1 11 11 TYR HD1 H 1 7.17 . . 1 . . . . . . . . 298 1
48 . 1 1 11 11 TYR HD2 H 1 7.17 . . 1 . . . . . . . . 298 1
49 . 1 1 11 11 TYR HE1 H 1 6.74 . . 1 . . . . . . . . 298 1
50 . 1 1 11 11 TYR HE2 H 1 6.74 . . 1 . . . . . . . . 298 1
51 . 1 1 12 12 PRO HA H 1 4.59 . . 1 . . . . . . . . 298 1
52 . 1 1 12 12 PRO HB2 H 1 2.07 . . 2 . . . . . . . . 298 1
53 . 1 1 12 12 PRO HB3 H 1 2.44 . . 2 . . . . . . . . 298 1
54 . 1 1 13 13 SER H H 1 7.76 . . 1 . . . . . . . . 298 1
55 . 1 1 13 13 SER HA H 1 4.33 . . 1 . . . . . . . . 298 1
56 . 1 1 14 14 GLY H H 1 6.93 . . 1 . . . . . . . . 298 1
57 . 1 1 14 14 GLY HA2 H 1 1.23 . . 2 . . . . . . . . 298 1
58 . 1 1 14 14 GLY HA3 H 1 3.47 . . 2 . . . . . . . . 298 1
59 . 1 1 15 15 CYS H H 1 7.89 . . 1 . . . . . . . . 298 1
60 . 1 1 15 15 CYS HA H 1 4.07 . . 1 . . . . . . . . 298 1
61 . 1 1 15 15 CYS HB2 H 1 2.48 . . 1 . . . . . . . . 298 1
62 . 1 1 15 15 CYS HB3 H 1 2.48 . . 1 . . . . . . . . 298 1
63 . 1 1 16 16 PRO HA H 1 4.08 . . 1 . . . . . . . . 298 1
64 . 1 1 16 16 PRO HB2 H 1 1.45 . . 1 . . . . . . . . 298 1
65 . 1 1 16 16 PRO HB3 H 1 1.45 . . 1 . . . . . . . . 298 1
66 . 1 1 17 17 SER HB2 H 1 3.75 . . 2 . . . . . . . . 298 1
67 . 1 1 17 17 SER HB3 H 1 4.12 . . 2 . . . . . . . . 298 1
68 . 1 1 18 18 GLY H H 1 8.9 . . 1 . . . . . . . . 298 1
69 . 1 1 18 18 GLY HA2 H 1 4.36 . . 1 . . . . . . . . 298 1
70 . 1 1 18 18 GLY HA3 H 1 4.36 . . 1 . . . . . . . . 298 1
71 . 1 1 19 19 TRP HA H 1 4.72 . . 1 . . . . . . . . 298 1
72 . 1 1 19 19 TRP HB2 H 1 3.12 . . 1 . . . . . . . . 298 1
73 . 1 1 19 19 TRP HB3 H 1 3.12 . . 1 . . . . . . . . 298 1
74 . 1 1 19 19 TRP HD1 H 1 6.94 . . 1 . . . . . . . . 298 1
75 . 1 1 19 19 TRP HE1 H 1 10.39 . . 1 . . . . . . . . 298 1
76 . 1 1 19 19 TRP HE3 H 1 7.22 . . 1 . . . . . . . . 298 1
77 . 1 1 19 19 TRP HZ2 H 1 7.8 . . 1 . . . . . . . . 298 1
78 . 1 1 19 19 TRP HZ3 H 1 7.52 . . 1 . . . . . . . . 298 1
79 . 1 1 19 19 TRP HH2 H 1 7.46 . . 1 . . . . . . . . 298 1
80 . 1 1 20 20 HIS H H 1 9.21 . . 1 . . . . . . . . 298 1
81 . 1 1 20 20 HIS HA H 1 5.15 . . 1 . . . . . . . . 298 1
82 . 1 1 20 20 HIS HE1 H 1 8.46 . . 1 . . . . . . . . 298 1
83 . 1 1 21 21 ASN H H 1 9.23 . . 1 . . . . . . . . 298 1
84 . 1 1 21 21 ASN HA H 1 4.86 . . 1 . . . . . . . . 298 1
85 . 1 1 21 21 ASN HB2 H 1 3.12 . . 1 . . . . . . . . 298 1
86 . 1 1 21 21 ASN HB3 H 1 3.12 . . 1 . . . . . . . . 298 1
87 . 1 1 22 22 CYS H H 1 9.64 . . 1 . . . . . . . . 298 1
88 . 1 1 22 22 CYS HA H 1 5.49 . . 1 . . . . . . . . 298 1
89 . 1 1 23 23 LYS HA H 1 4.83 . . 1 . . . . . . . . 298 1
90 . 1 1 23 23 LYS HB2 H 1 1.63 . . 2 . . . . . . . . 298 1
91 . 1 1 23 23 LYS HB3 H 1 2.03 . . 2 . . . . . . . . 298 1
92 . 1 1 24 24 ALA H H 1 9.83 . . 1 . . . . . . . . 298 1
93 . 1 1 24 24 ALA HA H 1 4.08 . . 1 . . . . . . . . 298 1
94 . 1 1 24 24 ALA HB1 H 1 1.32 . . 1 . . . . . . . . 298 1
95 . 1 1 24 24 ALA HB2 H 1 1.32 . . 1 . . . . . . . . 298 1
96 . 1 1 24 24 ALA HB3 H 1 1.32 . . 1 . . . . . . . . 298 1
97 . 1 1 25 25 HIS HA H 1 4.85 . . 1 . . . . . . . . 298 1
98 . 1 1 25 25 HIS HB2 H 1 3.04 . . 1 . . . . . . . . 298 1
99 . 1 1 25 25 HIS HB3 H 1 3.04 . . 1 . . . . . . . . 298 1
100 . 1 1 25 25 HIS HD2 H 1 7.32 . . 1 . . . . . . . . 298 1
101 . 1 1 25 25 HIS HE1 H 1 8.63 . . 1 . . . . . . . . 298 1
102 . 1 1 26 26 GLY HA2 H 1 3.44 . . 2 . . . . . . . . 298 1
103 . 1 1 26 26 GLY HA3 H 1 4.15 . . 2 . . . . . . . . 298 1
104 . 1 1 28 28 THR H H 1 8.23 . . 1 . . . . . . . . 298 1
105 . 1 1 28 28 THR HA H 1 3.84 . . 1 . . . . . . . . 298 1
106 . 1 1 28 28 THR HG21 H 1 1.21 . . 1 . . . . . . . . 298 1
107 . 1 1 28 28 THR HG22 H 1 1.21 . . 1 . . . . . . . . 298 1
108 . 1 1 28 28 THR HG23 H 1 1.21 . . 1 . . . . . . . . 298 1
109 . 1 1 29 29 ILE H H 1 7.27 . . 1 . . . . . . . . 298 1
110 . 1 1 29 29 ILE HA H 1 4.07 . . 1 . . . . . . . . 298 1
111 . 1 1 30 30 GLY HA2 H 1 3.53 . . 2 . . . . . . . . 298 1
112 . 1 1 30 30 GLY HA3 H 1 3.85 . . 2 . . . . . . . . 298 1
113 . 1 1 31 31 TRP HA H 1 4.79 . . 1 . . . . . . . . 298 1
114 . 1 1 31 31 TRP HB2 H 1 2.79 . . 1 . . . . . . . . 298 1
115 . 1 1 31 31 TRP HB3 H 1 2.79 . . 1 . . . . . . . . 298 1
116 . 1 1 31 31 TRP HD1 H 1 7.18 . . 1 . . . . . . . . 298 1
117 . 1 1 31 31 TRP HE1 H 1 9.23 . . 1 . . . . . . . . 298 1
118 . 1 1 31 31 TRP HE3 H 1 7.8 . . 1 . . . . . . . . 298 1
119 . 1 1 31 31 TRP HZ3 H 1 7.14 . . 1 . . . . . . . . 298 1
120 . 1 1 32 32 CYS H H 1 10.71 . . 1 . . . . . . . . 298 1
121 . 1 1 32 32 CYS HA H 1 5.25 . . 1 . . . . . . . . 298 1
122 . 1 1 32 32 CYS HB2 H 1 3.13 . . 1 . . . . . . . . 298 1
123 . 1 1 32 32 CYS HB3 H 1 3.13 . . 1 . . . . . . . . 298 1
124 . 1 1 33 33 CYS H H 1 8.93 . . 1 . . . . . . . . 298 1
125 . 1 1 33 33 CYS HA H 1 5.92 . . 1 . . . . . . . . 298 1
126 . 1 1 34 34 LYS H H 1 9.47 . . 1 . . . . . . . . 298 1
127 . 1 1 34 34 LYS HA H 1 5.18 . . 1 . . . . . . . . 298 1
128 . 1 1 35 35 GLN H H 1 8.17 . . 1 . . . . . . . . 298 1
129 . 1 1 35 35 GLN HA H 1 4.02 . . 1 . . . . . . . . 298 1
stop_
save_